- InChI
- InChI=1S/C15H22O/c1-9-5-6-12-10(2)7-11-8-13(14(9)12)16-15(11,3)4/h7,11-13H,5-6,8H2,1-4H3
- InChI Key
- SVGQUABWMVWDON-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC1=CC2CC(OC2(C)C)C2=C(C)CCC12
- Molecular Weight1
- 218.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 153.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.857 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | 1543.00 | NIST | |
| Tboil | 611.41 | K | Joback Calculated Property |
| Tc | 837.39 | K | Joback Calculated Property |
| Tfus | 387.38 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.31; 630.61] | J/mol×K | [611.41; 837.39] | 
|
| Cp,gas | 521.31 | J/mol×K | 611.41 | Joback Calculated Property |
| Cp,gas | 542.04 | J/mol×K | 649.07 | Joback Calculated Property |
| Cp,gas | 561.52 | J/mol×K | 686.74 | Joback Calculated Property |
| Cp,gas | 579.93 | J/mol×K | 724.40 | Joback Calculated Property |
| Cp,gas | 597.46 | J/mol×K | 762.07 | Joback Calculated Property |
| Cp,gas | 614.29 | J/mol×K | 799.73 | Joback Calculated Property |
| Cp,gas | 630.61 | J/mol×K | 837.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,11-Epoxyguaia-4,9-diene.
Sources
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